[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylbenzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylbenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H28N2O3/c1-15(18(24)23-21(14-22)12-6-5-7-13-21)26-19(25)16-8-10-17(11-9-16)20(2,3)4/h8-11,15H,5-7,12-13H2,1-4H3,(H,23,24)